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(Fwd) Re: Draft Dna/Rna dictionaries?

John Westbrook (jwest@wormhole)
Thu, 20 Oct 1994 14:34:22 -0400 

Sender: Murray-Rust Dr P <pmr1716@ggr.co.uk>
Subject: Re: Draft Dna/Rna dictionaries?


Just to say thank you very much for setting up this listserv.  I am sure
that it will make the project have the right interaction and I'd
encourage contributions.  I'll try to write soon about ideas that Syd and
I have exchanged mail about on how we break the software down into
discrete modules.

	I have been encouraging my colleagues in Glaxo about CIF and I
hope that it would be OK if 2 of them subscribed to this listserv as they
will be doing some of the actual coding.

	I'd be very grateful for the following basic resources:

	- latest (old-style) mmCIF.  (+ list of core items). Basically
	   what we'd like to do is scan through it and abstract the terms
	   which represent data items (rather than semantics).  Paula,
	   is there a copy we can download?

	- one (or more) CIFs in the (old-style) format.  I think we have at
	   least insulin and HIVP, but also a lot at NDB?

	There is no doubt hat the *readability* of the CIF is seen as its
most immediate attraction here.  (Until CIF we are reducing to
overloading the REMARK cards of PDB.  Since we have to be evolutionary, I
have suggested the following delightful construction:

REMARK _exptl_crystal_grow_ph 7.4

It is semantically interesting, but very useful as it doesn't break the
PDB reader and can also be grepped for CIF terms.  As an interim measure
and a way of converting people to the CIF dictionary it's a useful kludge.

	P.

Thanks everyone very much for the meeting.

------------------------------------------------------------------------------
Peter Murray-Rust                  | "Nothing exists except atoms and empty
pmr1716@ggr.co.uk                  | space; all else is opinion" (Democritos).
Protein Structure Group, Glaxo Group Research, Greenford, MIDDX, UB6 0HE, UK
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*  John Westbrook                       Ph:  (908) 445-5156                *
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